[2-(1-aminoethyl)morpholin-4-yl]-(5-bromo-2-iodophenyl)methanone

C13H16BrIN2O2 — CID 103807808

IUPAC[2-(1-aminoethyl)morpholin-4-yl]-(5-bromo-2-iodophenyl)methanone
SMILESCC(N)C1CN(C(=O)c2cc(Br)ccc2I)CCO1
InChIInChI=1S/C13H16BrIN2O2/c1-8(16)12-7-17(4-5-19-12)13(18)10-6-9(14)2-3-11(10)15/h2-3,6,8,12H,4-5,7,16H2,1H3
InChIKeyJGRLWFARXPYLMT-UHFFFAOYSA-N
MW439.09 g/mol
LogP2.24
Rot. Bonds2

About [2-(1-aminoethyl)morpholin-4-yl]-(5-bromo-2-iodophenyl)methanone

[2-(1-aminoethyl)morpholin-4-yl]-(5-bromo-2-iodophenyl)methanone (PubChem CID 103807808) has the molecular formula C13H16BrIN2O2 and a molecular weight of 439.09 g/mol. Its IUPAC name is [2-(1-aminoethyl)morpholin-4-yl]-(5-bromo-2-iodophenyl)methanone.

Molecular Properties

Compound Name[2-(1-aminoethyl)morpholin-4-yl]-(5-bromo-2-iodophenyl)methanone
PubChem CID103807808
Molecular FormulaC13H16BrIN2O2
Molecular Weight439.09 g/mol
Exact Mass437.94
IUPAC Name[2-(1-aminoethyl)morpholin-4-yl]-(5-bromo-2-iodophenyl)methanone
SMILESCC(N)C1CN(C(=O)c2cc(Br)ccc2I)CCO1
InChIInChI=1S/C13H16BrIN2O2/c1-8(16)12-7-17(4-5-19-12)13(18)10-6-9(14)2-3-11(10)15/h2-3,6,8,12H,4-5,7,16H2,1H3
InChIKeyJGRLWFARXPYLMT-UHFFFAOYSA-N
XLogP2.24
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.09
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-(5-bromo-2-iodophenyl)methanone
CID 103806414
[3-(1-aminoethyl)piperidin-1-yl]-(5-bromo-2-iodophenyl)methanone
CID 103807105
[2-(1-aminoethyl)morpholin-4-yl]-(2-bromo-4-chlorophenyl)methanone
CID 103807821
[2-(1-aminoethyl)morpholin-4-yl]-(2-bromo-5-fluorophenyl)methanone
CID 81485236
[2-(1-aminoethyl)morpholin-4-yl]-(4-iodophenyl)methanone
CID 81484348
[2-(1-aminoethyl)morpholin-4-yl]-(2-bromo-5-methoxyphenyl)methanone
CID 81484079
[2-(1-aminoethyl)morpholin-4-yl]-(3-bromo-2-fluorophenyl)methanone
CID 107956289
[2-(1-aminoethyl)morpholin-4-yl]-(3-bromo-5-chlorophenyl)methanone
CID 107940173
[(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-(2-chloro-4,5-difluorophenyl)methanone
CID 99716788
[2-(1-aminoethyl)morpholin-4-yl]-(2-methylsulfanylphenyl)methanone
CID 81484165
[2-(1-aminoethyl)morpholin-4-yl]-(2-methoxy-5-methylphenyl)methanone
CID 81484012
[(2R)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-(3-bromothiophen-2-yl)methanone
CID 99598727

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)morpholin-4-yl]-(5-bromo-2-iodophenyl)methanone?
The IUPAC name of [2-(1-aminoethyl)morpholin-4-yl]-(5-bromo-2-iodophenyl)methanone (CID 103807808) is [2-(1-aminoethyl)morpholin-4-yl]-(5-bromo-2-iodophenyl)methanone.
What is the SMILES notation for [2-(1-aminoethyl)morpholin-4-yl]-(5-bromo-2-iodophenyl)methanone?
The canonical SMILES for [2-(1-aminoethyl)morpholin-4-yl]-(5-bromo-2-iodophenyl)methanone is CC(N)C1CN(C(=O)c2cc(Br)ccc2I)CCO1.
What is the InChIKey of [2-(1-aminoethyl)morpholin-4-yl]-(5-bromo-2-iodophenyl)methanone?
The InChIKey is JGRLWFARXPYLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrIN2O2/c1-8(16)12-7-17(4-5-19-12)13(18)10-6-9(14)2-3-11(10)15/h2-3,6,8,12H,4-5,7,16H2,1H3.
What are the key properties of [2-(1-aminoethyl)morpholin-4-yl]-(5-bromo-2-iodophenyl)methanone?
[2-(1-aminoethyl)morpholin-4-yl]-(5-bromo-2-iodophenyl)methanone has a molecular weight of 439.09 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)morpholin-4-yl]-(5-bromo-2-iodophenyl)methanone is sourced from PubChem (CID 103807808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).